BDBM165355 US9062043, Table 13, Compound 22::US9062043, Table 20b, Compound 15

SMILES: OC(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C#C)c1ncncc21

InChI Key: InChIKey=HJGFPNFAFSFDNN-UHFFFAOYSA-N

Data: 1 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 165355   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM165355 (US9062043, Table 13, Compound 22 | US9062043, Tabl...) Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C#C)c1ncncc21 Show InChI InChI=1S/C20H12N4O2/c1-2-12-4-3-5-14(8-12)23-19-18-16(10-21-11-22-18)15-7-6-13(20(25)26)9-17(15)24-19/h1,3-11H,(H,23,24)(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of CK2alpha (unknown origin) using RRRADDSDDDDD as substrate in presence of [gamma33P]-ATP by autoradiography				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111581
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM165355 (US9062043, Table 13, Compound 22 | US9062043, Tabl...) Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C#C)c1ncncc21 Show InChI InChI=1S/C20H12N4O2/c1-2-12-4-3-5-14(8-12)23-19-18-16(10-21-11-22-18)15-7-6-13(20(25)26)9-17(15)24-19/h1,3-11H,(H,23,24)(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.2	n/a
SENHWA BIOSCIENCES, INC. US Patent					Assay Description Test compounds in aqueous solution were added at a volume of 10 microliters, to a reaction mixture comprising 10 microliters Assay Dilution Buffer (A...				US Patent US9062043 (2015) BindingDB Entry DOI: 10.7270/Q20G3HWF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase II subunit alpha (Homo sapiens (Human))	BDBM165355 (US9062043, Table 13, Compound 22 | US9062043, Tabl...) Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(c1)C#C)c1ncncc21 Show InChI InChI=1S/C20H12N4O2/c1-2-12-4-3-5-14(8-12)23-19-18-16(10-21-11-22-18)15-7-6-13(20(25)26)9-17(15)24-19/h1,3-11H,(H,23,24)(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	98	n/a	n/a	n/a	n/a	7.4	n/a
SENHWA BIOSCIENCES, INC. US Patent					Assay Description The human leukemia Jurkat T-cell line was maintained in RPMI 1640 (Cambrex) supplemented with 10% fetal calf serum and 50 ng/ml Geutamycin. Before tr...				US Patent US9062043 (2015) BindingDB Entry DOI: 10.7270/Q20G3HWF
					More data for this Ligand-Target Pair				3D Structure (crystal)